Geometry & MOs

Info

ID:	391350
PubChem CID:	135004455
Reduced:	FSH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	696.356323
ΔH_f, kcal/mol:	-2.97
Dipole, Da:	1.88
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(1S)-1-phenylethyl]amino]-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(\F)/SC2=CC=C(C=C2)C

DOS

IR

Vibrations